>compound S-Lactoylglutathione_S-Lactoylglutathione
#instrument UPLC Q-Tof Premier, Waters
>formula C13H21N3O8S
#smiles OC(=O)CNC(=O)[C@@H](NC(=O)CC[C@H](N)C(O)=O)CSC(=O)[C@@H](C)O
#RECORD LC-ESI-QTOF_train_data/PR100314.txt;LC-ESI-QTOF_train_data/PR100746.txt
>charge 1
>ionization [M+H]+
>parentmass 380.11273

>collision 5-60
76.0228 700.1
84.0451 496.3
116.0179 173.7
130.036 270.4
148.0441 489.0
162.0244 170.1
233.0606 836.7
251.0718 175.8
380.1127 402.8

>collision 5-60
74.0255 32.49
89.0253 28.46
99.0555 50.51
125.036 52.2
127.0506 29.63
128.0354 145.5
143.0453 122.5
146.0461 59.59
160.0063 37.23
171.0399 34.68
179.0459 31.18
210.09 26.57
215.0667 38.42
249.0559 39.6
254.0795 42.39
272.0885 72.14
306.0764 79.52
344.1118 32.08
378.0971 197.4

